title: Generalized Born-Oppenheimer treatment of Jahn-Teller systems in Hilbert spaces of arbitrary dimension: theory and application to a three-state model potential.
abstract: Generalized Born-Oppenheimer equations including the geometrical phase effect are derived for three- and four-fold electronic manifolds in Jahn-Teller systems near the degeneracy seam. The method is readily extendable to N-fold systems of arbitrary dimension. An application is reported for a model threefold system, and the results are compared with Born-Oppenheimer (geometrical phase ignored), extended Born-Oppenheimer, and coupled three-state calculations. The theory shows unprecedented simplicity while depicting all features of more elaborated ones.
authors.affiliation: Departamento de Qumica, Universidade de Coimbra, 3004 535 Coimbra, Portugal. varandas@qtvs1.qui.uc.pt
authors.forename: A J C
authors.initials: AJ
authors.lastname: Varandas
authors.forename: B
authors.initials: B
authors.lastname: Sarkar